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Table of contents (14 chapters)
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Front Matter
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Back Matter
Keywords
About this book
Motivated by the increased degree of understanding of elementary molecular properties on the levels ranging from fundamental quantum chemistry to the complex interactions of biomolecules, and aided by the spectacular progress in computer technology and access to computer power, the area has opened up to many new ideas and new approaches.
This book covers topics in quantum similarity approaches, electron density shape analysis methods, and it provides better theoretical understanding of molecular similarity. Additionally, quantitative shape analysis, especially activity relations (QShAR) and the prediction of the pharmacological or toxicological effects of molecules in the related context of quantum QSAR (QQSAR).
This volume written by the experts in the various subfields of molecular similarity, provides a collection of the most recent ideas, advances, and methodologies. It is the hope of the Editors that by representing these topics within a single volume, the readers will find a balanced overview of the status of the field. We also hope that the book will serve as a tool for selecting and assessing the best approach for various new types of problems of molecular similarity that may arise and it will provide a set of easy references for further studies and applications.
Editors and Affiliations
Bibliographic Information
Book Title: Fundamentals of Molecular Similarity
Editors: Ramon Carbó-Dorca, Xavier Gironés, Paul G. Mezey
Series Title: Mathematical and Computational Chemistry
DOI: https://doi.org/10.1007/978-1-4757-3273-3
Publisher: Springer New York, NY
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eBook Packages: Springer Book Archive
Copyright Information: Springer-Verlag US 2001
Hardcover ISBN: 978-0-306-46425-6Published: 31 May 2001
Softcover ISBN: 978-1-4419-3344-7Published: 03 December 2010
eBook ISBN: 978-1-4757-3273-3Published: 17 April 2013
Series ISSN: 1568-217X
Edition Number: 1
Number of Pages: XXX, 341
Topics: Physical Chemistry, Computer Applications in Chemistry, Ecotoxicology